CID 3039729

Benzenesulfonic acid, m-iodo-, sodium salt

Structural Information

Molecular Formula
C6H5IO3S
SMILES
C1=CC(=CC(=C1)I)S(=O)(=O)O
InChI
InChI=1S/C6H5IO3S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H,8,9,10)
InChIKey
BNQPGPMRORGVHG-UHFFFAOYSA-N
Compound name
3-iodobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

283.90042 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.90770 145.8
[M+Na]+ 306.88964 149.9
[M+NH4]+ 301.93424 149.3
[M+K]+ 322.86358 146.5
[M-H]- 282.89314 140.0
[M+Na-2H]- 304.87509 138.6
[M]+ 283.89987 144.1
[M]- 283.90097 144.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe